3-(2-ethylhexyl)-3-methylcyclopentan-1-ol

C14H28O — CID 116539984

IUPAC3-(2-ethylhexyl)-3-methylcyclopentan-1-ol
SMILESCCCCC(CC)CC1(C)CCC(O)C1
InChIInChI=1S/C14H28O/c1-4-6-7-12(5-2)10-14(3)9-8-13(15)11-14/h12-13,15H,4-11H2,1-3H3
InChIKeyCUBILXWXYFUWNE-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.14
Rot. Bonds6

About 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol

3-(2-ethylhexyl)-3-methylcyclopentan-1-ol (PubChem CID 116539984) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-ethylhexyl)-3-methylcyclopentan-1-ol
PubChem CID116539984
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-(2-ethylhexyl)-3-methylcyclopentan-1-ol
SMILESCCCCC(CC)CC1(C)CCC(O)C1
InChIInChI=1S/C14H28O/c1-4-6-7-12(5-2)10-14(3)9-8-13(15)11-14/h12-13,15H,4-11H2,1-3H3
InChIKeyCUBILXWXYFUWNE-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylhexyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314453
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
CID 123492953
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol (CID 116539984) is 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol is CCCCC(CC)CC1(C)CCC(O)C1.
What is the InChIKey of 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol?
The InChIKey is CUBILXWXYFUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-12(5-2)10-14(3)9-8-13(15)11-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol?
3-(2-ethylhexyl)-3-methylcyclopentan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).